5-(3-methylmorpholin-4-yl)-2-[1-(propylamino)ethyl]phenol

C16H26N2O2 — CID 79600240

IUPAC5-(3-methylmorpholin-4-yl)-2-[1-(propylamino)ethyl]phenol
SMILESCCCNC(C)c1ccc(N2CCOCC2C)cc1O
InChIInChI=1S/C16H26N2O2/c1-4-7-17-13(3)15-6-5-14(10-16(15)19)18-8-9-20-11-12(18)2/h5-6,10,12-13,17,19H,4,7-9,11H2,1-3H3
InChIKeySRVXBJRAQOPLLD-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.68
Rot. Bonds5

About 5-(3-methylmorpholin-4-yl)-2-[1-(propylamino)ethyl]phenol

5-(3-methylmorpholin-4-yl)-2-[1-(propylamino)ethyl]phenol (PubChem CID 79600240) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-(3-methylmorpholin-4-yl)-2-[1-(propylamino)ethyl]phenol.

Molecular Properties

Compound Name5-(3-methylmorpholin-4-yl)-2-[1-(propylamino)ethyl]phenol
PubChem CID79600240
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name5-(3-methylmorpholin-4-yl)-2-[1-(propylamino)ethyl]phenol
SMILESCCCNC(C)c1ccc(N2CCOCC2C)cc1O
InChIInChI=1S/C16H26N2O2/c1-4-7-17-13(3)15-6-5-14(10-16(15)19)18-8-9-20-11-12(18)2/h5-6,10,12-13,17,19H,4,7-9,11H2,1-3H3
InChIKeySRVXBJRAQOPLLD-UHFFFAOYSA-N
XLogP2.68
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylmorpholin-4-yl)-2-[1-(propylamino)ethyl]phenol?
The IUPAC name of 5-(3-methylmorpholin-4-yl)-2-[1-(propylamino)ethyl]phenol (CID 79600240) is 5-(3-methylmorpholin-4-yl)-2-[1-(propylamino)ethyl]phenol.
What is the SMILES notation for 5-(3-methylmorpholin-4-yl)-2-[1-(propylamino)ethyl]phenol?
The canonical SMILES for 5-(3-methylmorpholin-4-yl)-2-[1-(propylamino)ethyl]phenol is CCCNC(C)c1ccc(N2CCOCC2C)cc1O.
What is the InChIKey of 5-(3-methylmorpholin-4-yl)-2-[1-(propylamino)ethyl]phenol?
The InChIKey is SRVXBJRAQOPLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-7-17-13(3)15-6-5-14(10-16(15)19)18-8-9-20-11-12(18)2/h5-6,10,12-13,17,19H,4,7-9,11H2,1-3H3.
What are the key properties of 5-(3-methylmorpholin-4-yl)-2-[1-(propylamino)ethyl]phenol?
5-(3-methylmorpholin-4-yl)-2-[1-(propylamino)ethyl]phenol has a molecular weight of 278.40 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylmorpholin-4-yl)-2-[1-(propylamino)ethyl]phenol is sourced from PubChem (CID 79600240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).